General Information of the Compound
| Compound ID |
CP0437723
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| Compound Name |
(S)-4-fluoro-1-isopropyl-3-(3-(methylamino)-1-phenylpropyl)-1H-benzo[d]imidazol-2(3H)-one
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| Structure |
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| Formula |
C20H24FN3O
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| Molecular Weight |
341.43
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| Canonical SMILES |
CNCC[C@@H](c1ccccc1)n1c2c(F)cccc2n(C(C)C)c1=O
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| InChI |
InChI=1S/C20H24FN3O/c1-14(2)23-18-11-7-10-16(21)19(18)24(20(23)25)17(12-13-22-3)15-8-5-4-6-9-15/h4-11,14,17,22H,12-13H2,1-3H3/t17-/m0/s1
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| InChIKey |
XCYJTWMYHQVABH-KRWDZBQOSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter